Geometry & MOs

Info

ID:	441379
PubChem CID:	135234435
Reduced:	N5C19H19 (1)
Stoich.:	A5B19C19 (1)
Weight, g/mol:	354.140451
ΔH_f, kcal/mol:	91.42
Dipole, Da:	2.19
IP(EA), eV:	-7.93(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(Z)-2-amino-1-(2,4-difluorophenyl)-2-(4-methylquinazolin-6-yl)ethenyl]guanidine

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)C=C(C=C2)/C(=C(\C3=CC=CC=C3)/N=C(N)N)/N

DOS

IR

Vibrations