Geometry & MOs

Info

ID:	170608
PubChem CID:	75258630
Reduced:	FN5C16H22 (1)
Stoich.:	AB5C16D22 (1)
Weight, g/mol:	304.135782
ΔH_f, kcal/mol:	28.67
Dipole, Da:	1.41
IP(EA), eV:	-8.95(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-4a,5,6,7,8,9-hexahydropyrimido[4,5-d]azepin-4-one

Drug info:

PubChemData

Smile

CN1C=CN=C1CN(C)CC2CNNC2C3=CC=C(C=C3)F

DOS

IR

Vibrations