Geometry & MOs

Info

ID:	204124
PubChem CID:	79916113
Reduced:	NOC11H19 (1)
Stoich.:	ABC11D19 (1)
Weight, g/mol:	220.168797
ΔH_f, kcal/mol:	-22.16
Dipole, Da:	2.53
IP(EA), eV:	-9.18(1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-cyclopropyl-4-N-(3-methylbutyl)pyrimidine-4,5-diamine

Drug info:

PubChemData

Smile

CC1(CC(C(O1)(C)C)NCC#C)C

DOS

IR

Vibrations