Geometry & MOs

Info

ID:	167544
PubChem CID:	74845046
Reduced:	FN2O2C19H30 (1)
Stoich.:	AB2C2D19E30 (1)
Weight, g/mol:	385.271585
ΔH_f, kcal/mol:	-124.7
Dipole, Da:	4.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.069218
Charge, e:	1

Chem-info

IUPAC name:

(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-[(1-propan-2-ylpyrazol-4-yl)methyl]azanium

Drug info:

PubChemData

Smile

CC(C)OCCCN1C(CCC1=O)CC[NH2+]CC2=CC=CC=C2F

DOS

IR

Vibrations