Geometry & MOs

Info

ID:	243101
PubChem CID:	99215624
Reduced:	N2O3C23H30 (1)
Stoich.:	A2B3C23D30 (1)
Weight, g/mol:	388.151096
ΔH_f, kcal/mol:	-111.28
Dipole, Da:	5.08
IP(EA), eV:	-8.06(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N,N-dimethyl-3-phenyl-3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]propanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCCCC(=O)NC2=CC=C(C=C2)N3CCC(CC3)O

DOS

IR

Vibrations