Geometry & MOs

Info

ID:	378846
PubChem CID:	134224947
Reduced:	N3H33C37 (2)
Stoich.:	A3B33C37 (2)
Weight, g/mol:	163.117256
ΔH_f, kcal/mol:	314.12
Dipole, Da:	7.53
IP(EA), eV:	-7.59(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,5S)-3,5-difluoro-N,2-dimethylhex-2-en-1-amine

Drug info:

Smile

C/C=C\C=C/C=C/C(=NC(=C)C1=CC=CC=C1N2C3=C(C=C(C=C3)N(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C62)N=C(C)C7=CC=CC=C7N8C9=C(C=C(C=C9)N(C1CCCCCCC1)C1=CC=CC=C1)C1=CC=CC=C18

DOS

IR

Vibrations