Geometry & MOs

Info

ID:	441340
PubChem CID:	135234214
Reduced:	F2S2O3N9C28H29 (1)
Stoich.:	A2B2C3D9E28F29 (1)
Weight, g/mol:	177.115364
ΔH_f, kcal/mol:	-59.36
Dipole, Da:	5.02
IP(EA), eV:	-9.34(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-methoxyprop-2-enyl)phenyl]methanamine

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)CC(=O)NC2=NN=C(S2)[C@H]3CCCC(C3)C4=NN=C(S4)NC(=O)CC5=NC(=CC=C5)N6CC(C6)(F)F

DOS

IR

Vibrations